2-amino-4-(3-bromo-4-fluorophenyl)-4-(2,6-diethyl-4-pyridinyl)-1H-imidazol-5-one

C18H18BrFN4O — CID 71218913

IUPAC2-amino-4-(3-bromo-4-fluorophenyl)-4-(2,6-diethyl-4-pyridinyl)-1H-imidazol-5-one
SMILESCCc1cc(C2(c3ccc(F)c(Br)c3)N=C(N)NC2=O)cc(CC)n1
InChIInChI=1S/C18H18BrFN4O/c1-3-12-7-11(8-13(4-2)22-12)18(16(25)23-17(21)24-18)10-5-6-15(20)14(19)9-10/h5-9H,3-4H2,1-2H3,(H3,21,23,24,25)
InChIKeySOFKUDGEHQYCDR-UHFFFAOYSA-N
MW405.27 g/mol
LogP2.80
Rot. Bonds4

About 2-amino-4-(3-bromo-4-fluorophenyl)-4-(2,6-diethyl-4-pyridinyl)-1H-imidazol-5-one

2-amino-4-(3-bromo-4-fluorophenyl)-4-(2,6-diethyl-4-pyridinyl)-1H-imidazol-5-one (PubChem CID 71218913) has the molecular formula C18H18BrFN4O and a molecular weight of 405.27 g/mol. Its IUPAC name is 2-amino-4-(3-bromo-4-fluorophenyl)-4-(2,6-diethyl-4-pyridinyl)-1H-imidazol-5-one.

Molecular Properties

Compound Name2-amino-4-(3-bromo-4-fluorophenyl)-4-(2,6-diethyl-4-pyridinyl)-1H-imidazol-5-one
PubChem CID71218913
Molecular FormulaC18H18BrFN4O
Molecular Weight405.27 g/mol
Exact Mass404.06
IUPAC Name2-amino-4-(3-bromo-4-fluorophenyl)-4-(2,6-diethyl-4-pyridinyl)-1H-imidazol-5-one
SMILESCCc1cc(C2(c3ccc(F)c(Br)c3)N=C(N)NC2=O)cc(CC)n1
InChIInChI=1S/C18H18BrFN4O/c1-3-12-7-11(8-13(4-2)22-12)18(16(25)23-17(21)24-18)10-5-6-15(20)14(19)9-10/h5-9H,3-4H2,1-2H3,(H3,21,23,24,25)
InChIKeySOFKUDGEHQYCDR-UHFFFAOYSA-N
XLogP2.80
TPSA80.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.27
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-bromo-4-fluorophenyl)-4-(2,6-diethyl-4-pyridinyl)-1H-imidazol-5-one?
The IUPAC name of 2-amino-4-(3-bromo-4-fluorophenyl)-4-(2,6-diethyl-4-pyridinyl)-1H-imidazol-5-one (CID 71218913) is 2-amino-4-(3-bromo-4-fluorophenyl)-4-(2,6-diethyl-4-pyridinyl)-1H-imidazol-5-one.
What is the SMILES notation for 2-amino-4-(3-bromo-4-fluorophenyl)-4-(2,6-diethyl-4-pyridinyl)-1H-imidazol-5-one?
The canonical SMILES for 2-amino-4-(3-bromo-4-fluorophenyl)-4-(2,6-diethyl-4-pyridinyl)-1H-imidazol-5-one is CCc1cc(C2(c3ccc(F)c(Br)c3)N=C(N)NC2=O)cc(CC)n1.
What is the InChIKey of 2-amino-4-(3-bromo-4-fluorophenyl)-4-(2,6-diethyl-4-pyridinyl)-1H-imidazol-5-one?
The InChIKey is SOFKUDGEHQYCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrFN4O/c1-3-12-7-11(8-13(4-2)22-12)18(16(25)23-17(21)24-18)10-5-6-15(20)14(19)9-10/h5-9H,3-4H2,1-2H3,(H3,21,23,24,25).
What are the key properties of 2-amino-4-(3-bromo-4-fluorophenyl)-4-(2,6-diethyl-4-pyridinyl)-1H-imidazol-5-one?
2-amino-4-(3-bromo-4-fluorophenyl)-4-(2,6-diethyl-4-pyridinyl)-1H-imidazol-5-one has a molecular weight of 405.27 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-bromo-4-fluorophenyl)-4-(2,6-diethyl-4-pyridinyl)-1H-imidazol-5-one is sourced from PubChem (CID 71218913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).